================= 96/08/14 =================== Fredrik B|kman Subject: CCL:Fenske-Hall calculations Fredrik B|kman Subject: CCL:Transition metals / semiempirical parametrizations Leonardo Demaria Subject: CCL:LCAOSCF : how to get self-consistency ? eldbjorg@chem.uit.no (Eldbjoerg S. Heimstad) Subject: CCL:Poisson-Boltzman calculations Subject: CCL:Transition metals / semiempirical parametrizations "Ernest Chamot" Subject: CCL:Transition metals / semiempirical parametrizations Subject: CCL:Normal Coordinate Visualisation Subject: CCL:Book on comp. chem. Hobina Rajakaruna Subject: CCL:function to calc. Cp of C12H26 "Tapas Kar" Subject: CCL:HNO-HON surface TOPPER ROBERT Subject: CCL:Normal Coordinate Visualisatio Jeffrey J Gosper Subject: CCL:Normal Coordinate Visualisation Xiaofeng Duan Subject: CCL:Summary: Extended Huckel "Robert Fraczkiewicz" Subject: CCL:Normal Coordinate Visualisation "William R. Smith" Subject: CCL:function to calc. Cp of C12H26 Marie-Liesse Doublet Subject: CCL:Sunview Graphic Libraries James Pugh Subject: CCL:DFT single point calculations "E. Lewars" Subject: CCL:SINGLE-POINT DFT ON HF GEOMS Subject: CCL:NO SUBJECT Artem Masunov Subject: CCL:Summary: optimization and point charges... Alan.Shusterman@directory.Reed.EDU (Alan Shusterman) Subject: CCL:SINGLE-POINT DFT ON HF GEOMS haney@haney.hbond.com (Dr. David N. Haney) Subject: CCL:Poisson-Boltzman calculations